≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
AKI603 is an inhibitor of Aurora kinase A (AurA) , with an IC 50 of 12.3 nM. AKI603 is developed to overcome resistance mediated by BCR-ABL-T315I mutation. AKI603 exhibits strong anti-proliferative activity in leukemic cells
In Vitro
AKI603 (0.039-0.6 μM; 48 hours) extensively inhibits proliferation of leukemia cells. AKI603 (0.039-0.6 μM; 48 hours) significantly inhibits the phosphorylation of AurA in NB4, K562, and Jurkat cell lines in a dose-dependent manner while the level of total AurA protein is not changed. AKI603 inhibits the proliferation and colony formation of imatinib resistant CML cells. AKI603 (0.3-0.6 μM; 48 hours) inhibits cell proliferation and colony formation capacities in imatinib-resistant CML cells by inducing cell cycle arrest with polyploidy accumulation. Inhibition of AurA by AKI603 induces leukemia cell senescence in both BCR-ABL wild type and T315I mutation cells. AKI603 exhibits inhibitory activities on breast cancer cell proliferation, such as SUM149 (IC 50 =2.04), BT549 (IC 50 =0.86), MCF-7 (IC 50 =0.97), MCF-7-Epi (IC 50 =21.01), Sk-br-3 (IC 50 =0.73), MDA-MB-231 (IC 50 =3.49), MDA-MB-453 (MTT, IC 50 =0.18; Cell counting, IC 50 =0.19), MDA-MB-468 (MTT, IC 50 =0.15; Cell counting, IC 50 =0.17). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: U937 cells, HL-60 cells, NB4 cells, KBM5 cells, K562 cells, Jurkat cells Concentration: 0.039 μM, 0.078 μM, 0.16 μM, 0.3 μM, 0.6 μM Incubation Time: 48 hours Result: Inhibited all the tested cell lines. Western Blot AnalysisCell Line: NB4 cells, K562 cells, Jurkat cells Concentration: 0.039 μM, 0.078 μM, 0.16 μM, 0.3 μM, 0.6 μM Incubation Time: 48 hours Result: Inhibited the phosphorylation of AurA Thr288 (p-AurA). Cell Cycle AnalysisCell Line: K562, K562/G, 32D-p210 and 32D-T315I cells Concentration: 0.3 μM, 0.6 μM Incubation Time: 48 hours Result: Induced polyploidization in the tested cells.
In Vivo
AKI603 (12.5-25 mg/kg; i.p.; every 2 days; for 14 days) abrogates the growth of xenografted KBM5-T315I cells in nude mice . AKI603 exhibits moderate oral bioavailability (rat 28.7%) and C max (rat 202.4 μg/L) following oral administration (rat 25 mg/kg). AKI603 exhibits terminal elimination half-life (rat 8.9 h) following intravenous administration (rat 2.5 mg/kg). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female BALB/c nude mice, with KBM5-T315I cells xenografted Dosage: 12.5 mg/kg, 25 mg/kg Administration: Intraperitoneal injection, every 2 days, for 14 days Result: Significantly inhibited the growth of tumors. Animal Model: SD rats (220-280 g)Dosage: 2.5 mg/kg for i.v.; 25 mg/kg for p.o. (Pharmacokinetic Analysis) Administration: Intravenous injection, oral administration Result: Oral bioavailability (28.7%), C max (202.4 μg/L), T 1/2 (8.9 h)
Form:Solid
IC50& Target:Aurora A 12.3 nM (IC 50 )
| Sorrisi canonici | CC1=CC(=NN1)NC2=CC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C |
|---|---|
| IUPAC Name | 6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-nitrophenyl)pyrimidine-2,4-diamine |
| InChIKey | UNKOUVAYOLLXER-UHFFFAOYSA-N |
| INCHI | 1S/C19H23N9O2/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)20-14-3-5-15(6-4-14)28(29)30/h3-6,11-12H,7-10H2,1-2H3,(H3,20,21,22,23,24,25) |
| Isomeri SMILES | CC1=CC(=NN1)NC2=CC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C |
| PubChem CID | 72194397 |
| Termini MeSH | AKI603 |
| Peso molecolare | 409.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives N-methylpiperazines Imidolactams Pyrazoles Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
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| Solubilità | DMSO : 125 mg/mL (305.29 mM; Need ultrasonic) |
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